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3-Heptanol
SpectraBase Compound ID 2BI4OE6sZBS
InChI InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKey RZKSECIXORKHQS-UHFFFAOYSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkAFzR2XAyG
Name 3-Heptanol
CAS Registry Number 589-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKey RZKSECIXORKHQS-UHFFFAOYSA-N
Molecular Weight 116.204 g/mol
SMILES OC(CCCC)CC
SPLASH splash10-0aor-9000000000-aabfbeac56ab01c3d219
Source of Spectrum AA-0-437-2
Synonyms 1-Ethyl-1-pentanol Butyl ethyl carbinol CH3(CH2)3CHOHCH2CH3 Ethyl butyl carbinol Ethyl-n-butylcarbinol Heptan-3-ol n-Heptan-3-ol AI3-21994 BRN 1719067 EINECS 209-661-1 FEMA NO. 3547 NSC 2586
Wiley ID 1125918